Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 7Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36537
- Core Entity Id
- 43805
- Source Entity Count
- 1
- Preferred Name
- Vitamin b1.mol2
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C12H18N4OS+2
- Molecular Weight
- 266.4100
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- 49.3310
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Vitamin B1.Mol2
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Vitamin B1.Mol2
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Vitamin B1.mol2
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Vitamin B1.mol2
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Vitamin b1.mol2
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Vitamin b1.mol2
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN048042
Tcmsp
MOL005535
Sym Map
SMIT07280
Tcmbank
TCMBANKIN019165
Etcm Ingredient
Vitamin B1.mol2
Itcmdb Generated
ITX-INGREDIENT-EC79FD352EA1
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
49.33149.33100949.33100917
Suppress
0
Molecule Weight
266.41
Molecular Weight
266.120
Molecular Weight
266.41
Molecular Formula
C12H18N4OS+2
Fda Maximum Daily Dose (Fdamdd)
0.881
Quantitative Estimate Of Drug Likeness（Qed）
0.702